2-[4-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]butylsulfanyl]-1H-quinazolin-4-one

Systemtic Name: 2-[4-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]butylsulfanyl]-1H-quinazolin-4-one Openeye Name: 2-[4-(1-methyltetrazol-5-yl)sulfanylbutylsulfanyl]-1H-quinazolin-4-one CAS Name: 2-[4-[(1-methyl-5-tetrazolyl)thio]butylthio]-1H-quinazolin-4-one IUPAC Name: 2-[4-(1-methyltetrazol-5-yl)sulfanylbutylsulfanyl]-1H-quinazolin-4-one Traditional Name: 2-[4-[(1-methyltetrazol-5-yl)thio]butylthio]-1H-quinazolin-4-one Formula: C14H16N6OS2 MolecularWeight: 348.44644

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCCCCSC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CN1C(=NN=N1)SCCCCSC2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C14H16N6OS2/c1-20-14(17-18-19-20)23-9-5-4-8-22-13-15-11-7-3-2-6-10(11)12(21)16-13/h2-3,6-7H,4-5,8-9H2,1H3,(H,15,16,21)